HRID2323934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

结构：COc1cc(Nc2nc3c(c(C(C)n4nc(C)cc4C)n2)CNCC3)ccc1-n1cnc(C)c1

HCID59333757

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2nc3c(c(C(C)n4nc(C)cc4C)n2)CN(C(C)=O)CC3)ccc1-n1cnc(C)c1

HCID59333764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a1e1feff25d414693f4bcbabffcb89c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][C:2](=[O:3])[O:4][C:5](=[O:6])[CH3:7].[CH3:8][c:9]1[n:10][n:11]([CH:15]([CH3:16])[c:17]2[c:18]3[c:19]([n:20][c:21]([NH:23][c:24]4[cH:25][c:26]([O:36][CH3:37])[c:27](-[n:30]5[cH:31][n:32][c:33]([CH3:35])[cH:34]5)[cH:28][cH:29]4)[n:22]2)[CH2:38][CH2:39][NH:40][CH2:41]3)[c:12]([CH3:14])[cH:13]1.[Cl:42][CH2:43][Cl:44]>>[CH3:1][C:2](=[O:3])[N:40]1[CH2:39][CH2:38][c:19]2[c:18]([c:17]([CH:15]([n:11]3[n:10][c:9]([CH3:8])[cH:13][c:12]3[CH3:14])[CH3:16])[n:22][c:21]([NH:23][c:24]3[cH:25][c:26]([O:36][CH3:37])[c:27](-[n:30]4[cH:31][n:32][c:33]([CH3:35])[cH:34]4)[cH:28][cH:29]3)[n:20]2)[CH2:41]1